5-amino-2,3-diphenylterephthalic acid

C20H15NO4 — CID 174316349

IUPAC5-amino-2,3-diphenylterephthalic acid
SMILESNc1cc(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C20H15NO4/c21-15-11-14(19(22)23)16(12-7-3-1-4-8-12)17(18(15)20(24)25)13-9-5-2-6-10-13/h1-11H,21H2,(H,22,23)(H,24,25)
InChIKeyVZNHIVZGDIBDEW-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.00
Rot. Bonds4

About 5-amino-2,3-diphenylterephthalic acid

5-amino-2,3-diphenylterephthalic acid (PubChem CID 174316349) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-amino-2,3-diphenylterephthalic acid.

Molecular Properties

Compound Name5-amino-2,3-diphenylterephthalic acid
PubChem CID174316349
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name5-amino-2,3-diphenylterephthalic acid
SMILESNc1cc(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C20H15NO4/c21-15-11-14(19(22)23)16(12-7-3-1-4-8-12)17(18(15)20(24)25)13-9-5-2-6-10-13/h1-11H,21H2,(H,22,23)(H,24,25)
InChIKeyVZNHIVZGDIBDEW-UHFFFAOYSA-N
XLogP4.00
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-diphenylterephthalic acid?
The IUPAC name of 5-amino-2,3-diphenylterephthalic acid (CID 174316349) is 5-amino-2,3-diphenylterephthalic acid.
What is the SMILES notation for 5-amino-2,3-diphenylterephthalic acid?
The canonical SMILES for 5-amino-2,3-diphenylterephthalic acid is Nc1cc(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-amino-2,3-diphenylterephthalic acid?
The InChIKey is VZNHIVZGDIBDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c21-15-11-14(19(22)23)16(12-7-3-1-4-8-12)17(18(15)20(24)25)13-9-5-2-6-10-13/h1-11H,21H2,(H,22,23)(H,24,25).
What are the key properties of 5-amino-2,3-diphenylterephthalic acid?
5-amino-2,3-diphenylterephthalic acid has a molecular weight of 333.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-diphenylterephthalic acid is sourced from PubChem (CID 174316349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).